2-(furan-2-yl)-3-methylbutanal

C9H12O2 — CID 579273

IUPAC2-(furan-2-yl)-3-methylbutanal
SMILESCC(C)C(C=O)c1ccco1
InChIInChI=1S/C9H12O2/c1-7(2)8(6-10)9-4-3-5-11-9/h3-8H,1-2H3
InChIKeyCFZZQQSHWIMAEP-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.22
Rot. Bonds3

About 2-(furan-2-yl)-3-methylbutanal

2-(furan-2-yl)-3-methylbutanal (PubChem CID 579273) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-methylbutanal.

Molecular Properties

Compound Name2-(furan-2-yl)-3-methylbutanal
PubChem CID579273
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-(furan-2-yl)-3-methylbutanal
SMILESCC(C)C(C=O)c1ccco1
InChIInChI=1S/C9H12O2/c1-7(2)8(6-10)9-4-3-5-11-9/h3-8H,1-2H3
InChIKeyCFZZQQSHWIMAEP-UHFFFAOYSA-N
XLogP2.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)propanethial
CID 54309432
2-(furan-2-yl)pent-4-enal
CID 10558783
2-(furan-2-yl)tridecanal
CID 175449616
(E)-4-[[(1S)-1-(furan-2-yl)ethyl]amino]-4-oxobut-2-enoic acid
CID 81408440
dimethyl 2-[1-(furan-2-yl)prop-2-enyl]propanedioate
CID 13217837
2-[1-(4-chlorophenyl)ethyl]furan
CID 21387728
2-(furan-2-yl)propanamide;hydrochloride
CID 69414482
2-(1-diazopropan-2-yl)furan
CID 119087241
3-(furan-2-yl)pentane-2,4-dione
CID 12548240
(3R)-3-(furan-2-yl)-4-methylpentanoate
CID 7258657
ethyl (E,4S,5R)-4-(furan-2-yl)-5-hydroxyhex-2-enoate
CID 73293860
4-(furan-2-yl)-4-hydroxy-3-methylbutan-2-one
CID 14223499

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-methylbutanal?
The IUPAC name of 2-(furan-2-yl)-3-methylbutanal (CID 579273) is 2-(furan-2-yl)-3-methylbutanal.
What is the SMILES notation for 2-(furan-2-yl)-3-methylbutanal?
The canonical SMILES for 2-(furan-2-yl)-3-methylbutanal is CC(C)C(C=O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-3-methylbutanal?
The InChIKey is CFZZQQSHWIMAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(2)8(6-10)9-4-3-5-11-9/h3-8H,1-2H3.
What are the key properties of 2-(furan-2-yl)-3-methylbutanal?
2-(furan-2-yl)-3-methylbutanal has a molecular weight of 152.19 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-methylbutanal is sourced from PubChem (CID 579273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).